Geometry & MOs

Info

ID:	294478
PubChem CID:	117463120
Reduced:	BrO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	286.04809
ΔH_f, kcal/mol:	-135.66
Dipole, Da:	4.3
IP(EA), eV:	-9.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-bromo-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CC(C)C(=O)O)C)Br)O

DOS

IR

Vibrations